1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid

C14H16N2O2 — CID 4962066

IUPAC1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc3ccccc3[nH]2)CCCC1
InChIInChI=1S/C14H16N2O2/c17-13(18)14(7-3-4-8-14)9-12-15-10-5-1-2-6-11(10)16-12/h1-2,5-6H,3-4,7-9H2,(H,15,16)(H,17,18)
InChIKeyTWOKXLOYDCTMAJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.75
Rot. Bonds3

About 1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid

1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 4962066) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid
PubChem CID4962066
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc3ccccc3[nH]2)CCCC1
InChIInChI=1S/C14H16N2O2/c17-13(18)14(7-3-4-8-14)9-12-15-10-5-1-2-6-11(10)16-12/h1-2,5-6H,3-4,7-9H2,(H,15,16)(H,17,18)
InChIKeyTWOKXLOYDCTMAJ-UHFFFAOYSA-N
XLogP2.75
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid (CID 4962066) is 1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid is O=C(O)C1(Cc2nc3ccccc3[nH]2)CCCC1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is TWOKXLOYDCTMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13(18)14(7-3-4-8-14)9-12-15-10-5-1-2-6-11(10)16-12/h1-2,5-6H,3-4,7-9H2,(H,15,16)(H,17,18).
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid?
1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 4962066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).